64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=230.3833383781043 stress="-0.0027232298421168673 -0.0003704567570280298 -0.001217070787498707 -0.0003704567570280298 -0.003255878281282242 0.0014241499980709735 -0.001217070787498707 0.0014241499980709735 -0.0027567827289378816" free_energy=230.3833383781043 pbc="F F F" Cu 35.41774503 35.13402518 35.06196856 -9.15363409 -5.67670629 -8.11106178 Cu 36.66177341 36.15019835 35.83038615 -163.96796023 -274.71706439 81.75451938 Cu 37.24235299 37.16847990 35.45675865 165.45935649 295.87641196 -107.47438320 Cu 39.18198781 37.87324118 36.15108427 -117.76846203 11.74721907 -208.27425392 Cu 36.73105802 35.34002264 37.22195741 4.16458204 -15.08835309 34.64507283 Cu 38.21428551 36.35504044 38.71194695 1.96977289 -3.06822260 -2.36276779 Cu 34.89875128 37.26028252 37.33453631 1.80030474 -0.51577890 -0.41198334 Cu 36.90473140 38.75190693 38.46745976 -3.78581480 -6.30828355 -3.59033463 Cu 39.72096517 35.00767031 34.82428042 -0.18017966 0.82691854 0.57549336 Cu 41.63535152 35.83443619 36.04987709 -0.21731274 -4.00471317 2.84178156 Cu 41.97039455 37.63352158 35.29951011 -78.81992141 -44.70353907 -24.33515723 Cu 43.17046441 38.41083329 35.63550425 76.88885128 49.32894121 23.34145630 Cu 42.66230082 34.69129751 37.87912391 -77.97856350 -106.44384144 -37.94807057 Cu 43.45461784 35.78706234 38.26661553 78.07484248 106.83644279 37.01386041 Cu 39.84493789 37.82147912 37.27675538 119.53720796 -12.88869825 207.59250803 Cu 41.39294683 38.53761893 38.84069894 -0.99063579 -8.45536367 12.14577045 Cu 34.77756483 39.87437974 35.35783166 -6.32182129 -6.85978571 -3.39485559 Cu 36.01146930 40.86421590 36.28469850 -25.58356220 37.94810162 -73.75406687 Cu 38.14992936 42.18156713 35.17878800 -2.82499910 -4.28038254 -1.62418931 Cu 39.18675838 43.60087534 36.01863668 2.38017276 4.40167001 1.52497116 Cu 36.58460496 40.37971351 37.56013070 25.16335323 -24.25965587 70.97120647 Cu 38.02570316 40.99719921 38.63806428 5.24126848 4.37310772 2.46419465 Cu 34.94356850 42.39281079 37.64728731 -2.10368838 -2.85128051 -2.16242370 Cu 36.24894074 43.48886491 38.68418044 3.11141316 1.33204653 2.85156417 Cu 39.95132532 40.86778527 34.59622430 -41.82283205 12.96414692 -55.80773093 Cu 40.84985742 40.58803749 35.78928241 39.87562580 -10.22238466 50.47060047 Cu 42.46798355 42.73385667 34.51940443 -0.39079466 -0.31174462 1.00099923 Cu 43.89329427 43.65889759 36.64266940 -1.05995035 -0.76679773 0.12529584 Cu 41.61015700 39.73676340 37.53156615 4.80471195 7.16613102 -5.52430399 Cu 43.89693480 40.78060518 39.22980642 1.82711980 -2.50961658 -0.19204556 Cu 39.73319817 41.89099202 37.22367748 0.83999500 -0.94925068 0.99601273 Cu 41.66810188 43.49798340 38.70837216 -103.09075941 154.19173324 -60.07606176 Cu 34.84344435 34.86177249 39.82668200 0.93054534 0.65620117 -0.01428128 Cu 36.86006995 36.24329790 41.20354222 -105.20731464 116.21241729 -145.65158800 Cu 37.80378896 37.91389276 39.87754815 0.06876673 -4.65255670 5.80822466 Cu 38.66758011 39.32249330 40.91160867 5.54761271 -14.01060814 -21.93961624 Cu 37.50750273 35.52225272 42.11254100 104.60788627 -117.40096133 144.14867523 Cu 38.66368242 36.52808356 43.53668820 -88.87246185 -36.54471592 54.01268289 Cu 35.51724301 37.01910947 42.92020773 0.61075086 -2.43682818 -1.20473925 Cu 35.71317526 38.87390361 43.83520079 0.49748234 1.89955231 0.45031349 Cu 39.71301942 34.83823443 40.73878163 -0.20212023 1.63348285 0.79969794 Cu 41.70876915 36.31009551 41.35562370 -179.34689105 242.75015957 -189.88466081 Cu 43.12736913 37.47775061 40.01099480 -4.03875281 -8.65555360 -3.73267720 Cu 43.76827293 38.99212191 40.82837510 3.35991377 8.32837994 4.40023778 Cu 42.33010818 35.48347639 42.01797368 165.49100216 -254.76554661 176.12880685 Cu 43.38523410 36.18731127 43.11676416 12.53997951 12.30191778 13.06421890 Cu 39.82825187 37.02831572 42.84543225 87.94839116 35.60221687 -55.37556592 Cu 41.02145383 38.91529336 43.09836250 -20.61360978 -11.50890107 9.14045893 Cu 34.95974384 40.15370839 40.33439443 -1.65160979 -2.87471245 -2.20129365 Cu 36.33755221 41.61332926 40.85882812 -85.85920569 -51.01133675 34.58390839 Cu 37.53851838 42.30289587 40.43977040 85.74143663 43.21653241 -37.71349325 Cu 38.62252151 43.75995757 40.92310377 4.84931577 7.68785049 3.59317701 Cu 38.41036977 39.98066464 42.39585145 -5.79811752 11.47885860 28.94507729 Cu 38.27862168 42.13402424 43.35604053 -8.03877358 -3.32657532 3.70570777 Cu 34.90843050 42.71542806 41.71571763 -1.04181332 2.43142762 1.32797657 Cu 36.26106202 43.22889577 43.67282461 -0.37605249 0.12514440 -0.40184942 Cu 39.58253787 40.74161985 40.21089097 3.38064294 5.61592926 -3.82605996 Cu 41.18723284 41.60228415 41.34929789 2.94004178 -0.50760152 -0.31139415 Cu 42.37789113 42.42940827 39.11845834 100.82797073 -152.47962381 60.34218869 Cu 43.74776075 43.64482487 41.21056945 -0.99057260 -0.97376112 -0.19117035 Cu 42.35756193 39.79086342 42.56257035 20.95999562 14.61455020 -8.84764317 Cu 43.89117211 41.43608328 43.75343854 -0.84876513 0.15217885 -0.48413119 Cu 39.81829609 42.71212554 42.53160073 7.48266328 4.98840708 -3.31526240 Cu 41.61459929 43.65214058 43.86056255 0.02397655 -0.65733149 -0.62754301